Geometry & MOs

Info

ID:	298463
PubChem CID:	117649980
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	556.181664
ΔH_f, kcal/mol:	-30.61
Dipole, Da:	4.37
IP(EA), eV:	-9.4(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2-aminopyrimidin-5-yl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@]12CCCC=C1CC[C@@H]3[C@@H]2C(=O)C[C@]\4([C@H]3CC/C4=C/C#N)C

DOS

IR

Vibrations